SCHEMBL23809334

SCHEMBL23809334

CC(C)c1cn(CCN2CCCC2)c2ccc(-c3ncccn3)cc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.37
▸ ICMT O60725 2/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ HTR1A P08908 3/20 0.37
▸ HTR1B P28222 3/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ HTR6 P50406 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23809336 0.92 ICMT (0.38) KDRICMTHTR1AHTR1BDRD4
SCHEMBL23809476 0.91 ICMT (0.41) KDRICMTCNR2HTR1AHTR1B
SCHEMBL26581577 0.85 ICMT (0.41) KDRICMTCNR2HTR1AHTR1B
SCHEMBL20604957 0.82 KDR (0.39) KDRICMTCNR2HTR1AHTR1B
SCHEMBL23809421 0.81 DYRK1A (0.40) CNR2CNR1MCL1
SCHEMBL23809237 0.78 DRD2 (0.43) ICMTHTR1AHTR1BDRD4DRD3
SCHEMBL23809246 0.78 MEN1 (0.43) —
SCHEMBL23809414 0.78 HTR1A (0.42) ICMTCNR2HTR1AHTR1BDRD4
SCHEMBL23809277 0.77 SLC22A12 (0.47) CNR2CNR1KDM4E
SCHEMBL26581580 0.77 ICMT (0.42) KDRICMTHTR1AHTR1BDRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDR 2913/4885ICMT 4607/4885CNR2 3259/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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